1-[1-(3-bromophenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(3-bromophenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(3-bromophenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-bromophenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-bromophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(3-bromophenyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C19H21BrN2O2 MolecularWeight: 389.28624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC(=CC=C3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC(=CC=C3)Br)C(=O)O

InChI

InChI=1S/C19H21BrN2O2/c20-16-7-3-5-14(11-16)18(12-17-8-1-2-9-21-17)22-10-4-6-15(13-22)19(23)24/h1-3,5,7-9,11,15,18H,4,6,10,12-13H2,(H,23,24)